示例#1
0
"""proc.py
"""

import sys
sys.path.append("/x/PyMS")

from pyms.GCMS.IO.JCAMP.Function import JCAMP_reader
from pyms.GCMS.Function import build_intensity_matrix
from pyms.Utils.IO import save_data

# read the raw data as a GCMS_data object
jcamp_file = "/x/PyMS/data/gc01_0812_066.jdx"
data = JCAMP_reader(jcamp_file)

# IntensityMatrix
# must build intensity matrix before accessing any intensity matrix methods.

# default, float masses with interval (bin interval) of one from min mass
print "default intensity matrix, bin interval = 1, boundary +/- 0.5"
im = build_intensity_matrix(data)

#
# Saving data
#

# save the intensity matrix values to a file
mat = im.get_matrix_list()
print "saving intensity matrix intensity values..."
save_data("output/im.dat", mat)

# Export the entire IntensityMatrix as CSV. This will create